1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid

C7H8N2O3 — CID 96738211

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1nnc(C2(C(=O)O)CC2)o1
InChIInChI=1S/C7H8N2O3/c1-4-8-9-5(12-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyICIGVLLOPLCVSN-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.49
Rot. Bonds2

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid

1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 96738211) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID96738211
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1nnc(C2(C(=O)O)CC2)o1
InChIInChI=1S/C7H8N2O3/c1-4-8-9-5(12-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyICIGVLLOPLCVSN-UHFFFAOYSA-N
XLogP0.49
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetate
CID 86811546
2-(5-Methyl-1,3,4-oxadiazol-2-yl)acetic acid
CID 23009326
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanoic acid
CID 176157444
2-(5-Ethyl-1,3,4-oxadiazol-2-yl)acetic acid
CID 28752374
2-(5-Methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82416193
2-Methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 83695383
Ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoate
CID 118142334
2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 122577432
Ethyl 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylate
CID 137527353
2-(5-Methyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 139369462
Ethyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetate
CID 156005239
3-Methyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 156873263

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid (CID 96738211) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid is Cc1nnc(C2(C(=O)O)CC2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ICIGVLLOPLCVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-9-5(12-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid?
1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 96738211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).